3-cyclopentyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-cyclopentyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-cyclopentyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-cyclopentyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-cyclopentyl-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H25N3O/c21-17(9-8-15-5-1-2-6-15)20-13-11-19(12-14-20)16-7-3-4-10-18-16/h3-4,7,10,15H,1-2,5-6,8-9,11-14H2/p+1